SCHEMBL4724385

SCHEMBL4724385

CCOC(=O)c1csc(-c2c(-c3ccc(F)cc3)nc(C)n2C(=O)OC(C)(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 6/20 0.46
NPC1 O15118 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
PKM P14618 2/20 0.46
POLB P06746 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MMP1 P03956 1/20 0.44
MMP13 P45452 1/20 0.44
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
FAAH O00519 1/20 0.43
CLK1 P49759 1/20 0.42
ALDH1A1 P00352 4/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
PRKCZ Q05513 1/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4720725 0.91 MMP13 (0.43) RAB9AGAAMAPTNPC1NPSR1
SCHEMBL4761566 0.85 ALDH1A1 (0.41) RAB9AGAAMAPTNPC1MMP1
SCHEMBL25716587 0.83 KCNH2 (0.44) RAB9AGAAMAPTNPC1NPSR1
SCHEMBL6004413 0.83 MAPK14 (0.56) MAPTHPGDMAPK1NR1H2NR1H3
SCHEMBL4720103 0.80 RAB9A (0.49) RAB9AGAAMAPTNPC1NPSR1
SCHEMBL6003954 0.79 MAPK14 (0.42) RAB9AGAAMAPTNPC1NPSR1
SCHEMBL31163885 0.79 RAB9A (0.69) RAB9AGAAMAPTNPC1NPSR1
SCHEMBL29126881 0.78 MAPK14 (0.49) RAB9AGAAMAPTNPC1NPSR1
SCHEMBL15750626 0.76 RAB9A (0.49) RAB9AGAAMAPTNPC1NPSR1
SCHEMBL4762611 0.76 TGFBR1 (0.45) RAB9AGAAMAPTNPC1MMP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 EP disclosed
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 US disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 RAB9A 883/4885GAA 1965/4885MAPT 523/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.